D0T8TS
-OEChem-10101305022D
46 48 0 0 0 0 0 0 0999 V2000
3.8611 0.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 1.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8186 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8675 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5617 1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1244 0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5128 0.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1733 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5275 -0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3071 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1586 1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3790 1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8528 1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0731 1.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8333 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6129 -0.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3212 0.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1024 0.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7044 1.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 3.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 14 1 0 0 0 0
2 10 1 0 0 0 0
2 12 1 0 0 0 0
3 10 2 0 0 0 0
4 12 1 0 0 0 0
4 14 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 8 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 15 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
17 21 2 0 0 0 0
17 38 1 0 0 0 0
18 23 1 0 0 0 0
18 39 1 0 0 0 0
19 24 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 25 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M END
$$$$